Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | GRM5 | P41594 | 7/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL179253 | 0.82 | ACHE (0.48) | CA2CA9CA1 | |
| SCHEMBL9302636 | 0.82 | CA12 (0.62) | CA12CA2CA9CA1GRM5 | |
| SCHEMBL31286312 | 0.82 | CA12 (0.62) | CA12CA2CA9CA1GRM5 | |
| Ethylene SCHEMBL27799285 | 0.78 | ACHE (0.44) | CA2CA9CA1 | |
| SCHEMBL13647259 | 0.77 | CA12 (0.46) | CA12CA2CA9CA1GRM5 | |
| Methoxymethane SCHEMBL28044286 | 0.76 | AOC3 (0.49) | CA2CA9CA1 | |
| SCHEMBL717450 | 0.76 | CA12 (0.59) | CA12CA2CA9CA1GRM5 | |
| SCHEMBL4371227 | 0.76 | CA12 (0.49) | CA12CA2CA9CA1GRM5 | |
| SCHEMBL13119197 | 0.75 | TAAR1 (0.53) | CA2CA9CA1 | |
| SCHEMBL9304700 | 0.74 | CA12 (0.62) | CA12CA2CA9CA1GRM5 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022234965-A1 | HETEROARYL DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT | 주식회사 보로노이 | 2022-11-10 | — | — | WO | disclosed |